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Related Concept Videos

Metal-Ligand Bonds02:51

Metal-Ligand Bonds

21.6K
The hemoglobin in the blood, the chlorophyll in green plants, vitamin B-12, and the catalyst used in the manufacture of polyethylene all contain coordination compounds. Ions of the metals, especially the transition metals, are likely to form complexes.
In these complexes, transition metals form coordinate covalent bonds, a kind of Lewis acid-base interaction in which both of the electrons in the bond are contributed by a donor (Lewis base) to an electron acceptor (Lewis acid). The Lewis acid in...
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Complexation Equilibria: The Chelate Effect01:19

Complexation Equilibria: The Chelate Effect

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In complexation reactions, metal atoms or cations interact with ligands to form donor-acceptor adducts called metal complexes. Ligands that bind through one donor site are monodentate, ligands with two donor sites are bidentate, and those with more than two donor sites are polydentate ligands. For example, ethylene diamine is a bidentate ligand that binds through two nitrogen donor atoms, forming a five-membered ring. EDTA is a polydentate ligand that binds through four oxygen and two nitrogen...
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Valence Bond Theory02:42

Valence Bond Theory

9.8K
Coordination compounds and complexes exhibit different colors, geometries, and magnetic behavior, depending on the metal atom/ion and ligands from which they are composed. In an attempt to explain the bonding and structure of coordination complexes, Linus Pauling proposed the valence bond theory, or VBT, using the concepts of hybridization and the overlapping of the atomic orbitals. According to VBT, the central metal atom or ion (Lewis acid) hybridizes to provide empty orbitals of suitable...
9.8K
Complexation Equilibria: Factors Influencing Stability of Complexes01:09

Complexation Equilibria: Factors Influencing Stability of Complexes

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In complexation reactions, metal cations are the electron pair acceptors, and the ligands are the electron pair donors. The stability of the metal complexes depends primarily on the complexing ability of the central metal ion and the nature of the ligands. Generally, the complexing ability of the metal ion depends on the size and charge of the ion. As the metal ion size increases, the stability of the metal complexes decreases, provided that the valency of the metal ion and the ligands remain...
507
Extraction: Advanced Methods00:56

Extraction: Advanced Methods

564
Metal ions can be separated from one another by complexation with organic ligands–the chelating agent– to form uncharged chelates. Here, the chelating agent must contain hydrophobic groups and behave as a weak acid, losing a proton to bind with the metal. Since most organic ligands used in this process are insoluble or undergo oxidation in the aqueous phase, the chelating agent is initially added to the organic phase and extracted into the aqueous phase. The metal-ligand complex is...
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Coordination Number and Geometry02:57

Coordination Number and Geometry

16.8K
For transition metal complexes, the coordination number determines the geometry around the central metal ion. Table 1 compares coordination numbers to molecular geometry. The most common structures of the complexes in coordination compounds are octahedral, tetrahedral, and square planar.
16.8K

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Combining Solid-state and Solution-based Techniques: Synthesis and Reactivity of ChalcogenidoplumbatesII or IV
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Combining Solid-state and Solution-based Techniques: Synthesis and Reactivity of ChalcogenidoplumbatesII or IV

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Enhancing chalcogen bonding by metal coordination.

Rosa M Gomila1, Antonio Bauzá1, Antonio Frontera1

  • 1Department of Chemistry, Universitat de les Illes Balears, Crta de Valldemossa km 7.5, 07122 Palma de Mallorca, Baleares, Spain. toni.frontera@uib.es.

Dalton Transactions (Cambridge, England : 2003)
|March 29, 2022
PubMed
Summary
This summary is machine-generated.

Metal coordination enhances chalcogen bonding (ChB) interactions. This study demonstrates that selenium and tellurium atoms bonded to metals readily form ChBs, simplifying their application in materials science.

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Area of Science:

  • Inorganic Chemistry
  • Materials Science
  • Computational Chemistry

Background:

  • Chalcogen bonding (ChB) is a non-covalent interaction involving chalcogen atoms.
  • Previous studies often required electron-withdrawing groups to strengthen ChB.

Purpose of the Study:

  • To investigate the enhancement of ChB through metal coordination.
  • To explore the role of metal centers in modulating ChB strength.

Main Methods:

  • Density Functional Theory (DFT) calculations using PBE0-D3/def2-TZVP.
  • Analysis of X-ray crystal structures from the Cambridge Structural Database (CSD).
  • Natural Bond Orbital (NBO) analysis for orbital contributions.

Main Results:

  • Coordination to metal centers significantly enhances ChB interactions for Se and Te.
  • Metal-coordinated Se and Te atoms can form ChBs without strong electron-withdrawing groups.
  • NBO analysis revealed substantial lone pair (LP) to antibonding (σ*) orbital contributions, particularly for anionic donors.
  • Complexation generated a new σ-hole, facilitating 1D polymer formation in one case.

Conclusions:

  • Metal coordination is an effective strategy to strengthen and control chalcogen bonding.
  • This approach simplifies the design of materials utilizing ChB interactions.
  • The findings open new avenues for designing functional materials through tailored ChB.